Gaussian 98, revision a. 7, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA 12, 1998 | 44442* | 1998 |

Gaussian 03, revision C. 02 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., Wallingford, CT, 2004 | 38283* | 2004 |

Toward reliable density functional methods without adjustable parameters: The PBE0 model C Adamo, V Barone The Journal of chemical physics 110 (13), 6158-6170, 1999 | 15007 | 1999 |

Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model V Barone, M Cossi The Journal of Physical Chemistry A 102 (11), 1995-2001, 1998 | 8630 | 1998 |

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model M Cossi, N Rega, G Scalmani, V Barone Journal of computational chemistry 24 (6), 669-681, 2003 | 7301 | 2003 |

Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.[Google Scholar], 2004 | 6047* | 2004 |

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model M Cossi, V Barone, R Cammi, J Tomasi Chemical Physics Letters 255 (4-6), 327-335, 1996 | 3561 | 1996 |

Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The and models C Adamo, V Barone The Journal of chemical physics 108 (2), 664-675, 1998 | 3432 | 1998 |

New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution M Cossi, G Scalmani, N Rega, V Barone The Journal of Chemical Physics 117 (1), 43-54, 2002 | 2579 | 2002 |

A new definition of cavities for the computation of solvation free energies by the polarizable continuum model V Barone, M Cossi, J Tomasi The Journal of chemical physics 107 (8), 3210-3221, 1997 | 2562 | 1997 |

Time-dependent density functional theory for molecules in liquid solutions M Cossi, V Barone The Journal of chemical physics 115 (10), 4708-4717, 2001 | 2071 | 2001 |

Geometry optimization of molecular structures in solution by the polarizable continuum model V Barone, M Cossi, J Tomasi Journal of Computational Chemistry 19 (4), 404-417, 1998 | 1825 | 1998 |

Ab initio study of ionic solutions by a polarizable continuum dielectric model M Cossi, V Barone, B Mennucci, J Tomasi Chemical Physics Letters 286 (3-4), 253-260, 1998 | 1694 | 1998 |

Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone The Journal of chemical physics 122 (1), 014108, 2005 | 1540 | 2005 |

Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model G Scalmani, MJ Frisch, B Mennucci, J Tomasi, R Cammi, V Barone The Journal of chemical physics 124 (9), 094107, 2006 | 1248 | 2006 |

Toward reliable adiabatic connection models free from adjustable parameters C Adamo, V Barone Chemical Physics Letters 274 (1-3), 242-250, 1997 | 820 | 1997 |

Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model C Adamo, GE Scuseria, V Barone The Journal of chemical physics 111 (7), 2889-2899, 1999 | 741 | 1999 |

A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution R Improta, V Barone, G Scalmani, MJ Frisch The Journal of chemical physics 125 (5), 054103, 2006 | 740 | 2006 |

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases V Barone, M Casarin, D Forrer, M Pavone, M Sambi, A Vittadini Journal of computational chemistry 30 (6), 934-939, 2009 | 722 | 2009 |

Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 670 | 2009 |